CID 52562

Indole, 3-(n-(3-pyridyl)formimidoyl)-

Structural Information

Molecular Formula
C14H11N3
SMILES
C1=CC=C2C(=C1)C(=CN2)C=NC3=CN=CC=C3
InChI
InChI=1S/C14H11N3/c1-2-6-14-13(5-1)11(9-17-14)8-16-12-4-3-7-15-10-12/h1-10,17H
InChIKey
ORFGBHFBILRCNW-UHFFFAOYSA-N
Compound name
1-(1H-indol-3-yl)-N-pyridin-3-ylmethanimine
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

2
References

14
Patents

221.09529 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 222.102566 146.5
[M+Na]+ 244.084508 156.1
[M-H]- 220.088014 152.0
[M+NH4]+ 239.129113 164.6
[M+K]+ 260.058448 150.3
[M+H-H2O]+ 204.092550 137.7
[M+HCOO]- 266.093491 171.6
[M+CH3COO]- 280.109141 159.7
[M+Na-2H]- 242.069956 155.9
[M]+ 221.09474142 146.6
[M]- 221.09583858 146.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe